Compound Identification
SMILES
CC(C)C1=CC(NC2=CC=C(Br)C=C2)=CC(C(C)C)=C1OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=PCMXMFLLYGJTKS-UHFFFAOYSA-N
Formula
C25H28BrNO3S
Mass
502.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenylpropanes Cumenes Aniline and substituted anilines Phenoxy compounds Bromobenzenes Aryl bromides Primary aromatic amines Organosulfonic acid esters Sulfonyls Secondary amines Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Cumene - Phenylpropane - Benzenesulfonyl group - Phenoxy compound - Aniline or substituted anilines - Bromobenzene - Halobenzene - Toluene - Organosulfonic acid ester - Primary aromatic amine - Aryl bromide - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available